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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Feb-2021 | /GeomOpt_wB97XD M53 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.1196641; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M52 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -3927.11406674; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M43 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -3927.11676279; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M44 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -3927.10072997; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M34 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | GEN | -3880.66372559; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M21 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GENECP GEN | -3880.66169553; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M12 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.2336556; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M7 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | GEN | -3959.23408203; Eh |
Results 81-88 of 88 (Search time: 0.001 seconds).